N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide

C14H30N2O3S — CID 59467926

IUPACN-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
SMILESCC(C)(C)N(CCN1CCOCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O3S/c1-13(2,3)16(20(17,18)14(4,5)6)8-7-15-9-11-19-12-10-15/h7-12H2,1-6H3
InChIKeyVCUWAXSHOJDQMX-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.55
Rot. Bonds4

About N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide

N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide (PubChem CID 59467926) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
PubChem CID59467926
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
SMILESCC(C)(C)N(CCN1CCOCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O3S/c1-13(2,3)16(20(17,18)14(4,5)6)8-7-15-9-11-19-12-10-15/h7-12H2,1-6H3
InChIKeyVCUWAXSHOJDQMX-UHFFFAOYSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53621690
1-[(2S)-1-methoxypropan-2-yl]-4-methylsulfonylpiperazine
CID 96449422
1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
CID 58855423
1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
CID 58855474
1,1,3,3,4,4,4-heptafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
CID 89623525
4-Tert-butylsulfonylmorpholine
CID 20674904
2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
CID 57881541
N-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropane-2-sulfonamide
CID 59831553
N-methyl-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 60140230
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-4-methylsulfonylpiperazine
CID 69097625
N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 69097628
N-ethyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 70832880

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The IUPAC name of N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide (CID 59467926) is N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The canonical SMILES for N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide is CC(C)(C)N(CCN1CCOCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The InChIKey is VCUWAXSHOJDQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-13(2,3)16(20(17,18)14(4,5)6)8-7-15-9-11-19-12-10-15/h7-12H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide has a molecular weight of 306.47 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide is sourced from PubChem (CID 59467926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).